REMARK  Name = BDB026872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.037  -0.534   1.495  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.016  -1.975   0.997  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.669  -3.008   1.884  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.649  -4.338   1.459  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.981  -4.656   0.144  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -2.336  -3.645  -0.746  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.356  -2.314  -0.324  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -1.271   0.402   0.638  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1       -1.601   0.330  -0.323  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.174   0.157   0.689  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        0.911   1.181  -0.184  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        5.235   0.529  -0.049  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.408  -0.120  -0.983  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.022   0.086  -1.033  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        2.404   0.971  -0.150  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        3.198   1.638   0.780  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        4.584   1.423   0.820  0.00  0.00    +0.023 A 
BRANCH  12  19
ATOM     18  C   LIG    1        7.184  -0.830  -0.703  0.00  0.00    +0.129 C 
ATOM     19  N   LIG    1        6.621   0.331  -0.015  0.00  0.00    -0.336 N 
ATOM     20  C   LIG    1        7.376   0.805   1.143  0.00  0.00    +0.129 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -3.494  -0.058   1.743  0.00  0.00    +0.186 C 
ATOM     22  O   LIG    1       -3.992  -0.152   2.869  0.00  0.00    -0.290 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -4.329   0.365   0.616  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1       -4.225   1.524  -0.219  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -5.259   1.453  -1.157  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -5.452   2.419  -2.152  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -4.570   3.502  -2.185  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.544   3.618  -1.253  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -5.988   0.321  -0.876  0.00  0.00    -0.360 N 
ATOM     30  H   LIG    1       -6.815   0.032  -1.379  0.00  0.00    +0.165 HD
ATOM     31  C   LIG    1       -3.366   2.643  -0.264  0.00  0.00    +0.011 A 
ATOM     32  C   LIG    1       -5.450  -0.331   0.198  0.00  0.00    +0.095 A 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 8